#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mfn n LEU 2 N 0.00 0.00 -4.98 0.99 4.32 -1.26 -5.09 117.00 110.97 1mfn n LEU 2 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 56.01 55.79 1mfn n LEU 2 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1mfn n LEU 2 CO 0.00 -0.00 0.22 -1.81 -1.22 0.00 0.00 177.39 174.57 1mfn s ASP 3 N 0.40 5.66 -0.10 -1.43 1.11 -1.26 -4.88 116.67 116.17 1mfn s ASP 3 Ca 0.00 -0.09 -0.15 0.00 0.18 0.00 0.00 52.55 52.49 1mfn s ASP 3 Cb 0.00 -1.05 -0.05 0.00 1.07 0.00 0.00 42.92 42.89 1mfn s ASP 3 CO 0.00 -0.78 0.36 -0.94 1.18 0.00 0.00 175.17 175.00 1mfn s SER 4 N -4.30 6.60 -1.10 0.27 1.04 -1.26 -4.62 113.70 110.33 1mfn s SER 4 Ca 0.52 0.71 -0.22 0.00 0.48 0.00 0.00 55.95 57.45 1mfn s SER 4 Cb -0.10 -2.22 0.05 0.00 0.10 0.00 0.00 66.02 63.85 1mfn s SER 4 CO 0.35 0.16 1.58 -2.16 0.98 0.00 0.00 173.24 174.15 1mfn s PRO 5 N -0.04 3.62 0.00 4.02 0.04 -1.26 -4.72 135.00 136.66 1mfn s PRO 5 Ca 0.21 -1.34 0.00 0.00 0.04 0.00 0.00 61.00 59.91 1mfn s PRO 5 Cb -0.14 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1mfn s PRO 5 CO 0.08 -2.34 0.00 0.25 0.04 0.00 0.00 177.00 175.03 1mfn n THR 6 N 6.82 0.00 -2.27 1.26 -2.24 -1.26 -4.24 114.28 112.36 1mfn n THR 6 Ca 0.39 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.12 1mfn n THR 6 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 1mfn n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 7 N 5.00 -0.35 3.89 3.38 0.00 -1.26 0.68 105.19 116.54 1mfn n GLY 7 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1mfn n GLY 7 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mfn s PHE 8 N -2.10 3.46 0.00 1.61 2.19 -1.26 -3.49 117.98 118.39 1mfn s PHE 8 Ca 0.00 0.70 0.00 0.00 0.33 0.00 0.00 56.93 57.96 1mfn s PHE 8 Cb 0.00 -2.14 0.00 0.00 -1.31 0.00 0.00 43.02 39.57 1mfn s PHE 8 CO 0.00 0.25 0.00 -3.47 1.83 0.00 0.00 175.22 173.83 1mfn n ASP 9 N -0.50 0.00 -3.74 6.13 2.03 -0.83 -4.88 116.55 114.76 1mfn n ASP 9 Ca -0.01 -0.32 -0.21 0.00 0.52 0.00 0.00 54.79 54.77 1mfn n ASP 9 Cb 0.53 0.00 -0.18 0.00 -0.72 0.00 0.00 41.12 40.75 1mfn n ASP 9 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1mfn s SER 10 N 1.05 1.28 0.03 1.67 1.04 -1.26 -1.19 113.70 116.32 1mfn s SER 10 Ca 0.00 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.42 1mfn s SER 10 Cb 0.00 -0.30 -0.00 0.00 0.10 0.00 0.00 66.02 65.82 1mfn s SER 10 CO 0.00 -0.20 0.03 -1.54 0.98 0.00 0.00 173.24 172.51 1mfn n SER 11 N 5.07 -0.08 -3.62 7.02 3.41 -0.55 -4.82 113.62 120.06 1mfn n SER 11 Ca -0.08 -1.23 -0.25 0.00 -0.26 0.00 0.00 58.87 57.05 1mfn n SER 11 Cb 0.50 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 1mfn n SER 11 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mfn n ASP 12 N -2.81 -2.41 -4.72 4.04 9.92 -1.26 -1.16 116.55 118.15 1mfn n ASP 12 Ca 0.01 -0.51 -0.41 0.00 -0.53 0.00 0.00 54.79 53.34 1mfn n ASP 12 Cb 0.06 -2.06 -0.04 0.00 -0.64 0.00 0.00 41.12 38.44 1mfn n ASP 12 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mfn s ILE 13 N -2.84 4.59 0.50 0.53 1.01 -1.26 -1.39 121.20 122.34 1mfn s ILE 13 Ca 0.48 2.02 0.01 0.00 0.00 0.00 0.00 60.65 63.16 1mfn s ILE 13 Cb -0.27 -4.29 -0.00 0.00 0.01 0.00 0.00 42.46 37.91 1mfn s ILE 13 CO 0.58 0.25 0.04 0.35 0.00 0.00 0.00 174.94 176.16 1mfn n THR 14 N 3.25 0.00 0.08 2.92 -2.24 0.88 -4.71 114.28 114.46 1mfn n THR 14 Ca 0.04 -2.48 -0.04 0.00 -2.27 0.00 0.00 64.05 59.29 1mfn n THR 14 Cb 0.50 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 1mfn n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mfn h ALA 15 N 1.38 -0.37 -0.31 6.98 0.00 -1.87 -2.09 119.26 122.98 1mfn h ALA 15 Ca -0.41 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1mfn h ALA 15 Cb 1.31 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1mfn h ALA 15 CO 0.67 -0.35 0.11 0.09 0.00 0.00 0.00 179.25 179.77 1mfn n ASN 16 N -4.01 3.14 -3.62 0.00 4.13 -1.26 -3.30 115.26 110.34 1mfn n ASN 16 Ca -0.03 -2.50 -0.04 0.00 1.68 0.00 0.00 54.58 53.68 1mfn n ASN 16 Cb 0.11 -0.60 -0.04 0.00 -1.54 0.00 0.00 39.78 37.71 1mfn n ASN 16 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1mfn s SER 17 N -0.20 -0.12 -0.27 6.41 1.04 -1.24 -0.81 113.70 118.51 1mfn s SER 17 Ca 0.24 0.09 -0.25 0.00 0.48 0.00 0.00 55.95 56.50 1mfn s SER 17 Cb 0.19 0.11 0.11 0.00 0.10 0.00 0.00 66.02 66.53 1mfn s SER 17 CO 0.06 -0.15 0.94 0.72 0.98 0.00 0.00 173.24 175.79 1mfn s PHE 18 N -1.52 -0.56 0.46 5.02 -0.12 -0.79 0.30 117.98 120.77 1mfn s PHE 18 Ca 0.07 1.35 -0.03 0.00 -0.05 0.00 0.00 56.93 58.28 1mfn s PHE 18 Cb -0.01 0.34 -0.02 0.00 -0.63 0.00 0.00 43.02 42.70 1mfn s PHE 18 CO -0.05 -0.28 0.73 0.99 -0.05 0.00 0.00 175.22 176.56 1mfn s THR 19 N 0.20 4.62 0.31 -4.49 2.01 -0.31 -1.61 115.64 116.37 1mfn s THR 19 Ca 0.02 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1mfn s THR 19 Cb -0.05 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 1mfn s THR 19 CO -0.04 -0.64 0.13 -0.69 -0.69 0.00 0.00 174.62 172.69 1mfn s VAL 20 N -2.65 0.54 0.24 3.82 1.01 -0.55 -1.49 120.40 121.32 1mfn s VAL 20 Ca 0.47 -2.00 -0.08 0.00 0.00 0.00 0.00 61.98 60.37 1mfn s VAL 20 Cb -0.10 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1mfn s VAL 20 CO 0.42 0.00 0.36 -1.00 0.00 0.00 0.00 175.10 174.88 1mfn s HIS 21 N -3.54 0.67 0.00 5.22 3.76 -0.34 -2.07 115.29 118.99 1mfn s HIS 21 Ca 0.34 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1mfn s HIS 21 Cb 0.06 -0.08 0.00 0.00 1.11 0.00 0.00 32.58 33.67 1mfn s HIS 21 CO 0.16 -0.89 0.00 -2.67 -0.85 0.00 0.00 174.74 170.49 1mfn n TRP 22 N -0.36 0.00 -1.51 1.40 2.14 -0.30 -1.97 117.44 116.85 1mfn n TRP 22 Ca -0.00 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.28 1mfn n TRP 22 Cb 0.63 0.00 0.12 0.00 -0.81 0.00 0.00 31.31 31.25 1mfn n TRP 22 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1mfn s VAL 23 N -0.53 2.47 0.55 -1.67 1.01 0.22 -4.73 120.40 117.72 1mfn s VAL 23 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1mfn s VAL 23 Cb 0.00 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1mfn s VAL 23 CO 0.00 -0.20 0.78 0.00 0.00 0.00 0.00 175.10 175.68 1mfn s ALA 24 N -3.20 3.77 0.90 5.51 0.00 -1.26 -4.04 121.76 123.45 1mfn s ALA 24 Ca 0.63 -1.21 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1mfn s ALA 24 Cb -0.15 -2.16 0.14 0.00 0.00 0.00 0.00 23.12 20.95 1mfn s ALA 24 CO 0.54 -0.74 1.21 -1.25 0.00 0.00 0.00 175.76 175.52 1mfn s PRO 25 N -4.78 1.20 -0.23 0.00 0.04 -1.26 -4.62 135.00 125.34 1mfn s PRO 25 Ca 0.56 -0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1mfn s PRO 25 Cb -0.10 -1.87 0.37 0.00 0.04 0.00 0.00 34.50 32.93 1mfn s PRO 25 CO 0.39 -2.10 1.45 0.54 0.04 0.00 0.00 177.00 177.32 1mfn n ARG 26 N -3.64 1.85 -4.12 4.56 5.12 -1.26 -4.88 116.66 114.29 1mfn n ARG 26 Ca 0.10 -1.62 -0.14 0.00 -1.93 0.00 0.00 57.85 54.26 1mfn n ARG 26 Cb 0.60 -1.67 -0.06 0.00 -1.16 0.00 0.00 32.46 30.17 1mfn n ARG 26 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1mfn s ALA 27 N -1.79 0.79 0.30 7.54 0.00 -1.26 -4.93 121.76 122.41 1mfn s ALA 27 Ca 0.30 -1.50 -0.28 0.00 0.00 0.00 0.00 51.96 50.49 1mfn s ALA 27 Cb 0.25 1.22 -0.09 0.00 0.00 0.00 0.00 23.12 24.50 1mfn s ALA 27 CO 0.06 -0.75 1.00 -1.25 0.00 0.00 0.00 175.76 174.82 1mfn s PRO 28 N -3.50 4.60 0.02 0.00 0.04 -1.26 -5.03 135.00 129.88 1mfn s PRO 28 Ca 0.32 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1mfn s PRO 28 Cb 0.01 -2.98 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 1mfn s PRO 28 CO 0.18 0.26 0.03 0.44 0.04 0.00 0.00 177.00 177.94 1mfn n ILE 29 N 0.86 0.00 -0.01 0.56 -5.35 -1.26 -4.75 119.36 109.41 1mfn n ILE 29 Ca 0.01 -0.12 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 1mfn n ILE 29 Cb 0.48 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1mfn n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1mfn n THR 30 N -0.04 0.00 -2.81 7.28 -2.24 0.20 -4.87 114.28 111.81 1mfn n THR 30 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1mfn n THR 30 Cb 0.04 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1mfn n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 31 N 0.81 -0.57 2.82 3.38 0.00 -1.19 -3.88 105.19 106.55 1mfn n GLY 31 Ca 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 1mfn n GLY 31 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mfn s TYR 32 N -2.75 0.20 0.03 1.61 1.51 -1.13 -2.33 117.35 114.48 1mfn s TYR 32 Ca 0.00 0.04 -0.26 0.00 -1.01 0.00 0.00 57.07 55.83 1mfn s TYR 32 Cb 0.00 -0.30 -0.05 0.00 -0.11 0.00 0.00 41.96 41.50 1mfn s TYR 32 CO 0.00 -0.10 0.82 0.42 -1.11 0.00 0.00 175.55 175.59 1mfn s ILE 33 N 0.86 4.77 -0.41 2.71 1.09 0.00 -1.63 121.20 128.59 1mfn s ILE 33 Ca -0.08 1.74 -0.04 0.00 -1.10 0.00 0.00 60.65 61.17 1mfn s ILE 33 Cb -0.11 -4.17 0.11 0.00 -1.06 0.00 0.00 42.46 37.22 1mfn s ILE 33 CO -0.02 0.30 0.21 -0.63 -0.10 0.00 0.00 174.94 174.71 1mfn s ILE 34 N 0.27 3.45 -0.33 2.92 -1.09 0.59 0.01 121.20 127.03 1mfn s ILE 34 Ca 0.42 -1.93 -0.06 0.00 -2.23 0.00 0.00 60.65 56.84 1mfn s ILE 34 Cb -0.21 -3.31 0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1mfn s ILE 34 CO 0.24 -0.65 0.10 -0.13 -1.23 0.00 0.00 174.94 173.27 1mfn s ARG 35 N 1.20 2.73 0.29 2.79 0.52 0.76 -0.60 118.95 126.63 1mfn s ARG 35 Ca 0.07 -1.10 0.11 0.00 -0.52 0.00 0.00 55.73 54.29 1mfn s ARG 35 Cb -0.23 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 1mfn s ARG 35 CO -0.03 -0.61 -0.16 -3.38 0.02 0.00 0.00 175.30 171.13 1mfn s HIS 36 N 1.42 2.35 -0.28 -0.53 -3.43 -0.84 0.19 115.29 114.17 1mfn s HIS 36 Ca -0.01 -0.34 -0.21 0.00 -0.80 0.00 0.00 55.06 53.70 1mfn s HIS 36 Cb -0.19 -1.06 0.12 0.00 -1.43 0.00 0.00 32.58 30.02 1mfn s HIS 36 CO 0.03 0.69 0.97 -3.38 -2.00 0.00 0.00 174.74 171.04 1mfn s HIS 37 N -2.50 -0.57 0.92 0.38 -3.43 -0.75 0.49 115.29 109.83 1mfn s HIS 37 Ca 0.31 1.28 -0.12 0.00 -0.80 0.00 0.00 55.06 55.73 1mfn s HIS 37 Cb -0.04 0.38 0.11 0.00 -1.43 0.00 0.00 32.58 31.60 1mfn s HIS 37 CO 0.16 -0.28 0.13 0.00 -2.00 0.00 0.00 174.74 172.75 1mfn n ALA 38 N 2.89 -0.17 -0.58 -1.38 0.00 -1.26 0.21 120.51 120.21 1mfn n ALA 38 Ca -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1mfn n ALA 38 Cb 0.57 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1mfn n ALA 38 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mfn n GLU 39 N -0.83 0.00 -2.70 0.00 0.28 -1.02 -4.00 120.64 112.37 1mfn n GLU 39 Ca 0.04 0.63 -0.06 0.00 -0.16 0.00 0.00 57.16 57.61 1mfn n GLU 39 Cb 0.33 -1.21 0.07 0.00 1.43 0.00 0.00 31.44 32.06 1mfn n GLU 39 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1mfn n HIS 40 N -1.73 -0.44 0.00 -1.84 8.25 -1.26 -4.83 115.22 113.37 1mfn n HIS 40 Ca 0.00 -2.29 0.00 0.00 -0.26 0.00 0.00 57.72 55.17 1mfn n HIS 40 Cb 0.00 0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.65 1mfn n HIS 40 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1mfn n SER 41 N -0.47 0.00 -3.66 0.41 3.41 -1.26 -4.94 113.62 107.11 1mfn n SER 41 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.34 1mfn n SER 41 Cb 0.83 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 65.00 1mfn n SER 41 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1mfn n VAL 42 N 0.00 0.00 0.00 -3.33 0.31 -1.26 -5.06 118.33 108.99 1mfn n VAL 42 Ca 0.00 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 1mfn n VAL 42 Cb 0.00 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1mfn n VAL 42 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mfn n GLY 43 N -3.88 1.37 3.63 2.92 0.00 -1.26 -4.88 105.19 103.09 1mfn n GLY 43 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 1mfn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 44 N 0.00 1.62 -1.82 1.61 5.12 -1.26 -4.95 116.66 116.98 1mfn n ARG 44 Ca 0.00 0.57 -0.30 0.00 -1.93 0.00 0.00 57.85 56.19 1mfn n ARG 44 Cb 0.00 -2.03 0.05 0.00 -1.16 0.00 0.00 32.46 29.32 1mfn n ARG 44 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1mfn s PRO 45 N -1.51 2.73 0.02 5.56 0.04 -1.26 -5.01 135.00 135.57 1mfn s PRO 45 Ca 0.59 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1mfn s PRO 45 Cb -0.67 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1mfn s PRO 45 CO 0.60 -1.13 1.16 1.03 0.04 0.00 0.00 177.00 178.69 1mfn s ARG 46 N -5.32 4.43 -0.02 4.56 1.81 0.18 -4.90 118.95 119.70 1mfn s ARG 46 Ca 0.59 1.68 -0.22 0.00 -1.72 0.00 0.00 55.73 56.05 1mfn s ARG 46 Cb -0.12 -3.43 -0.05 0.00 -0.45 0.00 0.00 34.95 30.91 1mfn s ARG 46 CO 0.52 -0.27 0.64 -0.65 -0.68 0.00 0.00 175.30 174.86 1mfn s GLN 47 N 1.39 4.38 -0.25 3.54 -0.21 -1.26 -1.99 119.66 125.26 1mfn s GLN 47 Ca 0.57 0.81 -0.06 0.00 0.02 0.00 0.00 55.36 56.69 1mfn s GLN 47 Cb -0.26 -3.38 0.12 0.00 1.00 0.00 0.00 33.01 30.49 1mfn s GLN 47 CO 0.27 0.26 0.50 -0.51 -2.12 0.00 0.00 175.29 173.69 1mfn s ASP 48 N 0.14 -0.57 0.33 5.90 1.11 0.23 -4.98 116.67 118.83 1mfn s ASP 48 Ca 0.34 1.02 0.07 0.00 0.18 0.00 0.00 52.55 54.16 1mfn s ASP 48 Cb -0.18 1.69 -0.03 0.00 1.07 0.00 0.00 42.92 45.47 1mfn s ASP 48 CO 0.18 -0.24 0.31 -0.13 1.18 0.00 0.00 175.17 176.46 1mfn s ARG 49 N 2.71 2.76 0.08 8.23 3.00 -1.26 0.22 118.95 134.69 1mfn s ARG 49 Ca 0.02 -1.27 -0.01 0.00 0.00 0.00 0.00 55.73 54.48 1mfn s ARG 49 Cb -0.13 -2.51 -0.04 0.00 0.00 0.00 0.00 34.95 32.27 1mfn s ARG 49 CO -0.16 0.10 -0.00 0.14 0.00 0.00 0.00 175.30 175.38 1mfn s VAL 50 N -2.29 0.18 0.97 3.52 -7.23 -0.65 -4.77 120.40 110.13 1mfn s VAL 50 Ca 0.41 -1.84 -0.15 0.00 -1.81 0.00 0.00 61.98 58.59 1mfn s VAL 50 Cb -0.06 -1.70 0.18 0.00 0.56 0.00 0.00 36.38 35.36 1mfn s VAL 50 CO 0.27 -0.82 1.20 -2.16 -0.31 0.00 0.00 175.10 173.28 1mfn s PRO 51 N -3.96 0.65 0.21 4.82 0.04 -1.26 -2.84 135.00 132.66 1mfn s PRO 51 Ca 0.13 -0.03 0.25 0.00 0.04 0.00 0.00 61.00 61.39 1mfn s PRO 51 Cb 0.08 -1.81 0.88 0.00 0.04 0.00 0.00 34.50 33.69 1mfn s PRO 51 CO -0.06 -2.47 1.76 -0.35 0.04 0.00 0.00 177.00 175.92 1mfn n PRO 52 N -3.89 0.23 -0.82 0.56 -0.04 -1.25 -2.97 135.00 126.82 1mfn n PRO 52 Ca 0.11 0.27 -0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1mfn n PRO 52 Cb 0.60 -1.81 0.29 0.00 -0.04 0.00 0.00 33.50 32.54 1mfn n PRO 52 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1mfn n SER 53 N -2.21 4.34 -3.89 3.54 7.64 -1.26 -4.82 113.62 116.96 1mfn n SER 53 Ca 0.05 -3.22 -0.30 0.00 1.01 0.00 0.00 58.87 56.40 1mfn n SER 53 Cb 0.36 -0.67 -0.15 0.00 -1.01 0.00 0.00 64.21 62.75 1mfn n SER 53 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1mfn s ARG 54 N -2.97 1.27 0.00 1.43 1.81 -1.16 -4.93 118.95 114.40 1mfn s ARG 54 Ca 0.50 -1.71 0.30 0.00 -1.72 0.00 0.00 55.73 53.10 1mfn s ARG 54 Cb 0.41 -2.74 1.42 0.00 -0.45 0.00 0.00 34.95 33.58 1mfn s ARG 54 CO 0.11 -0.99 1.95 0.27 -0.68 0.00 0.00 175.30 175.95 1mfn n ASN 55 N 4.25 0.71 -4.04 0.23 0.23 -1.26 -4.78 115.26 110.60 1mfn n ASN 55 Ca 0.03 -1.12 -0.13 0.00 -0.53 0.00 0.00 54.58 52.83 1mfn n ASN 55 Cb 0.40 -0.01 -0.12 0.00 -2.08 0.00 0.00 39.78 37.97 1mfn n ASN 55 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1mfn s SER 56 N -2.10 0.75 -0.07 0.53 1.04 -1.26 -1.15 113.70 111.46 1mfn s SER 56 Ca 0.40 -0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.32 1mfn s SER 56 Cb 0.21 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.39 1mfn s SER 56 CO 0.38 -0.19 -0.03 -0.51 0.98 0.00 0.00 173.24 173.87 1mfn s ILE 57 N -1.28 0.54 -0.32 -1.02 2.07 -0.88 -4.88 121.20 115.43 1mfn s ILE 57 Ca -0.10 -0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 58.92 1mfn s ILE 57 Cb -0.09 -0.63 -0.01 0.00 0.13 0.00 0.00 42.46 41.86 1mfn s ILE 57 CO 0.00 0.27 0.58 -0.89 -1.91 0.00 0.00 174.94 172.99 1mfn s THR 58 N 1.57 4.97 0.22 4.00 2.01 -1.26 -1.48 115.64 125.67 1mfn s THR 58 Ca -0.00 0.64 -0.07 0.00 0.31 0.00 0.00 61.69 62.57 1mfn s THR 58 Cb -0.13 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.34 1mfn s THR 58 CO -0.04 -0.17 0.50 -0.76 -0.69 0.00 0.00 174.62 173.46 1mfn s LEU 59 N 2.53 4.16 0.27 4.42 1.43 -0.63 -4.90 118.68 125.96 1mfn s LEU 59 Ca 0.22 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1mfn s LEU 59 Cb -0.15 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1mfn s LEU 59 CO 0.13 -0.08 0.08 0.42 0.23 0.00 0.00 176.35 177.13 1mfn s THR 60 N -1.85 0.70 -1.38 5.49 -4.23 -1.26 -1.88 115.64 111.22 1mfn s THR 60 Ca 0.45 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1mfn s THR 60 Cb -0.11 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.10 1mfn s THR 60 CO 0.25 -0.03 1.15 0.59 -0.54 0.00 0.00 174.62 176.04 1mfn n ASN 61 N -0.50 -6.27 -4.73 3.99 5.03 0.01 -4.88 115.26 107.91 1mfn n ASN 61 Ca -0.01 -0.55 -0.24 0.00 0.87 0.00 0.00 54.58 54.65 1mfn n ASN 61 Cb 0.66 -4.94 -0.06 0.00 -1.02 0.00 0.00 39.78 34.42 1mfn n ASN 61 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1mfn s LEU 62 N -7.30 3.53 0.28 3.41 1.43 -0.77 -5.00 118.68 114.26 1mfn s LEU 62 Ca 0.59 -0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.02 1mfn s LEU 62 Cb -0.26 -2.10 -0.11 0.00 0.03 0.00 0.00 46.19 43.74 1mfn s LEU 62 CO 0.73 0.02 1.59 0.20 0.23 0.00 0.00 176.35 179.12 1mfn s ASN 63 N -3.43 6.39 -0.26 2.29 0.01 -1.26 -4.12 114.94 114.56 1mfn s ASN 63 Ca 0.31 2.92 -0.29 0.00 -0.71 0.00 0.00 52.86 55.09 1mfn s ASN 63 Cb -0.08 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 38.95 1mfn s ASN 63 CO 0.22 -0.90 1.13 -2.16 -1.51 0.00 0.00 177.10 173.88 1mfn s PRO 64 N -0.37 4.13 -0.13 -0.60 0.04 -1.21 -3.85 135.00 133.01 1mfn s PRO 64 Ca 0.64 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1mfn s PRO 64 Cb -0.47 -3.74 -0.01 0.00 0.04 0.00 0.00 34.50 30.32 1mfn s PRO 64 CO 0.46 -0.82 0.12 0.41 0.04 0.00 0.00 177.00 177.21 1mfn n GLY 65 N 3.73 0.60 3.34 0.56 0.00 0.79 -4.54 105.19 109.68 1mfn n GLY 65 Ca 0.13 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1mfn n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mfn s THR 66 N -3.05 0.05 -0.05 2.61 2.01 -0.95 -4.75 115.64 111.51 1mfn s THR 66 Ca 0.06 -1.52 0.06 0.00 0.31 0.00 0.00 61.69 60.60 1mfn s THR 66 Cb -0.01 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1mfn s THR 66 CO 0.09 -0.22 -0.24 -1.83 -0.69 0.00 0.00 174.62 171.73 1mfn s GLU 67 N -4.01 2.30 0.37 4.92 -1.05 -1.26 0.19 118.70 120.16 1mfn s GLU 67 Ca 0.22 -0.85 0.04 0.00 -0.15 0.00 0.00 54.97 54.22 1mfn s GLU 67 Cb 0.03 -2.01 -0.03 0.00 -0.44 0.00 0.00 34.13 31.68 1mfn s GLU 67 CO 0.03 0.40 0.15 0.71 0.95 0.00 0.00 175.26 177.50 1mfn s TYR 68 N -0.24 1.75 -0.53 4.83 1.51 -0.33 -2.42 117.35 121.93 1mfn s TYR 68 Ca -0.00 -1.34 -0.07 0.00 -1.01 0.00 0.00 57.07 54.65 1mfn s TYR 68 Cb -0.12 -1.04 0.14 0.00 -0.11 0.00 0.00 41.96 40.82 1mfn s TYR 68 CO 0.02 -0.41 0.38 0.08 -1.11 0.00 0.00 175.55 174.51 1mfn s VAL 69 N -3.33 4.05 -0.15 0.71 1.01 0.56 -1.59 120.40 121.64 1mfn s VAL 69 Ca 0.29 -2.16 -0.25 0.00 0.00 0.00 0.00 61.98 59.86 1mfn s VAL 69 Cb 0.03 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1mfn s VAL 69 CO 0.17 -0.81 0.81 -0.69 0.00 0.00 0.00 175.10 174.58 1mfn s VAL 70 N 0.90 4.91 -0.11 2.92 1.01 0.20 -1.81 120.40 128.42 1mfn s VAL 70 Ca 0.10 1.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.64 1mfn s VAL 70 Cb -0.23 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1mfn s VAL 70 CO -0.03 0.06 0.03 -0.94 0.00 0.00 0.00 175.10 174.22 1mfn s SER 71 N 1.12 5.41 -0.15 3.32 1.04 0.51 -1.11 113.70 123.84 1mfn s SER 71 Ca 0.38 0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.97 1mfn s SER 71 Cb -0.17 -1.65 0.02 0.00 0.10 0.00 0.00 66.02 64.32 1mfn s SER 71 CO 0.13 0.34 -0.15 -0.63 0.98 0.00 0.00 173.24 173.91 1mfn s ILE 72 N -0.62 1.62 0.37 -1.02 -1.09 0.66 -0.17 121.20 120.95 1mfn s ILE 72 Ca 0.11 -0.67 0.08 0.00 -2.23 0.00 0.00 60.65 57.94 1mfn s ILE 72 Cb -0.12 -1.51 -0.06 0.00 -1.58 0.00 0.00 42.46 39.19 1mfn s ILE 72 CO 0.02 0.47 0.02 -0.63 -1.23 0.00 0.00 174.94 173.59 1mfn s ILE 73 N 1.38 2.32 -0.07 2.92 1.01 0.10 0.13 121.20 128.98 1mfn s ILE 73 Ca 0.03 -1.98 0.00 0.00 0.00 0.00 0.00 60.65 58.70 1mfn s ILE 73 Cb -0.13 -2.85 0.02 0.00 0.01 0.00 0.00 42.46 39.51 1mfn s ILE 73 CO -0.09 -0.11 -0.06 0.00 0.00 0.00 0.00 174.94 174.68 1mfn s ALA 74 N -2.60 0.98 -0.07 9.38 0.00 -1.26 -0.82 121.76 127.37 1mfn s ALA 74 Ca 0.35 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.07 1mfn s ALA 74 Cb 0.04 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1mfn s ALA 74 CO 0.19 -0.21 -0.18 0.14 0.00 0.00 0.00 175.76 175.71 1mfn s VAL 75 N 1.33 2.73 -0.43 0.00 -7.23 -0.98 -0.22 120.40 115.59 1mfn s VAL 75 Ca -0.04 -0.82 0.06 0.00 -1.81 0.00 0.00 61.98 59.37 1mfn s VAL 75 Cb -0.14 -2.07 0.42 0.00 0.56 0.00 0.00 36.38 35.16 1mfn s VAL 75 CO -0.03 0.57 1.10 -3.20 -0.31 0.00 0.00 175.10 173.23 1mfn n ASN 76 N 2.79 4.49 0.00 4.85 5.15 -1.25 0.59 115.26 131.89 1mfn n ASN 76 Ca -0.17 -3.65 0.00 0.00 -0.60 0.00 0.00 54.58 50.15 1mfn n ASN 76 Cb 0.52 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 1mfn n ASN 76 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1mfn n GLY 77 N -0.45 1.86 0.14 8.20 0.00 -1.26 -3.96 105.19 109.72 1mfn n GLY 77 Ca 0.37 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.95 1mfn n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1mfn n ARG 78 N 0.00 0.15 -2.64 1.61 3.00 -1.26 -5.03 116.66 112.49 1mfn n ARG 78 Ca 0.00 -0.88 -0.23 0.00 -0.00 0.00 0.00 57.85 56.74 1mfn n ARG 78 Cb 0.00 -1.06 0.09 0.00 0.00 0.00 0.00 32.46 31.49 1mfn n ARG 78 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1mfn s GLU 79 N -0.41 1.89 -0.33 -0.14 2.02 -1.25 -5.10 118.70 115.38 1mfn s GLU 79 Ca 0.04 -1.11 0.04 0.00 0.02 0.00 0.00 54.97 53.97 1mfn s GLU 79 Cb 0.03 -2.39 0.17 0.00 0.10 0.00 0.00 34.13 32.04 1mfn s GLU 79 CO 0.04 -1.26 0.48 -1.21 0.02 0.00 0.00 175.26 173.34 1mfn s GLU 80 N -5.03 0.56 1.47 1.61 2.02 -1.26 -3.82 118.70 114.25 1mfn s GLU 80 Ca 0.64 -0.04 -0.24 0.00 0.02 0.00 0.00 54.97 55.36 1mfn s GLU 80 Cb -0.06 -0.19 0.38 0.00 0.10 0.00 0.00 34.13 34.36 1mfn s GLU 80 CO 0.43 -1.10 0.89 0.45 0.02 0.00 0.00 175.26 175.95 1mfn n SER 81 N 4.98 -4.01 -4.82 -0.19 2.88 0.69 -4.88 113.62 108.28 1mfn n SER 81 Ca 0.05 -0.82 -0.33 0.00 -1.33 0.00 0.00 58.87 56.45 1mfn n SER 81 Cb 0.51 -1.03 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 1mfn n SER 81 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1mfn s PRO 82 N -5.02 3.83 -0.57 -1.46 0.04 -1.26 -4.55 135.00 126.01 1mfn s PRO 82 Ca 0.68 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 62.60 1mfn s PRO 82 Cb -0.13 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1mfn s PRO 82 CO 0.58 -0.38 1.33 -1.25 0.04 0.00 0.00 177.00 177.31 1mfn s PRO 83 N -3.63 3.39 -0.68 0.56 0.04 -1.26 -4.39 135.00 129.03 1mfn s PRO 83 Ca 0.63 0.37 -0.25 0.00 0.04 0.00 0.00 61.00 61.79 1mfn s PRO 83 Cb -0.13 -4.08 0.05 0.00 0.04 0.00 0.00 34.50 30.38 1mfn s PRO 83 CO 0.25 -1.83 1.09 -1.17 0.04 0.00 0.00 177.00 175.38 1mfn s LEU 84 N 5.61 3.86 0.09 -3.56 2.96 0.36 -4.80 118.68 123.20 1mfn s LEU 84 Ca 0.48 -0.68 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1mfn s LEU 84 Cb -0.09 -2.54 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1mfn s LEU 84 CO 0.25 -1.57 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.05 1mfn s ILE 85 N 4.72 3.81 0.13 6.68 1.01 -1.26 0.24 121.20 136.52 1mfn s ILE 85 Ca 0.29 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1mfn s ILE 85 Cb -0.13 -2.80 0.03 0.00 0.01 0.00 0.00 42.46 39.57 1mfn s ILE 85 CO 0.13 0.12 0.40 -0.83 0.00 0.00 0.00 174.94 174.76 1mfn s GLY 86 N -2.27 -0.23 -0.44 6.18 0.00 -0.26 -4.98 107.32 105.32 1mfn s GLY 86 Ca 0.24 -0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.75 1mfn s GLY 86 CO 0.17 -0.33 0.31 1.20 0.00 0.00 0.00 173.10 174.44 1mfn s GLN 87 N -3.82 2.75 0.00 2.90 -0.21 -1.26 -0.62 119.66 119.40 1mfn s GLN 87 Ca 0.04 -1.41 0.00 0.00 0.02 0.00 0.00 55.36 54.01 1mfn s GLN 87 Cb 0.02 -3.91 0.00 0.00 1.00 0.00 0.00 33.01 30.12 1mfn s GLN 87 CO -0.11 -0.98 0.00 1.04 -2.12 0.00 0.00 175.29 173.12 1mfn n GLN 88 N 5.02 2.06 -3.59 2.91 1.13 -0.62 -4.88 117.38 119.41 1mfn n GLN 88 Ca -0.11 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.83 1mfn n GLN 88 Cb 0.43 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.72 1mfn n GLN 88 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1mfn s ALA 89 N -2.00 -1.90 0.25 -1.58 0.00 -1.26 -1.18 121.76 114.10 1mfn s ALA 89 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 1mfn s ALA 89 Cb 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 23.12 22.15 1mfn s ALA 89 CO 0.00 -0.30 0.99 0.95 0.00 0.00 0.00 175.76 177.40 1mfn s THR 90 N -0.49 3.89 0.93 0.00 -4.23 0.49 -4.84 115.64 111.40 1mfn s THR 90 Ca -0.02 1.90 -0.16 0.00 -1.18 0.00 0.00 61.69 62.23 1mfn s THR 90 Cb -0.02 -4.21 -0.12 0.00 1.34 0.00 0.00 72.50 69.49 1mfn s THR 90 CO 0.01 0.45 -0.50 0.52 -0.54 0.00 0.00 174.62 174.56 1mfn n VAL 91 N 1.38 0.08 -4.25 2.29 0.31 -0.78 -2.24 118.33 115.11 1mfn n VAL 91 Ca -0.02 -0.45 -0.35 0.00 -0.01 0.00 0.00 64.34 63.52 1mfn n VAL 91 Cb 0.46 -0.13 -0.10 0.00 -0.91 0.00 0.00 33.84 33.17 1mfn n VAL 91 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1mfn s SER 92 N -1.17 5.33 0.00 4.52 0.01 -1.26 0.28 113.70 121.41 1mfn s SER 92 Ca 0.45 0.10 0.17 0.00 1.31 0.00 0.00 55.95 57.98 1mfn s SER 92 Cb -0.23 -1.71 0.87 0.00 0.21 0.00 0.00 66.02 65.16 1mfn s SER 92 CO 0.78 0.28 1.46 0.47 0.41 0.00 0.00 173.24 176.65 1mfn n ASP 93 N 2.78 0.00 -4.55 2.44 8.00 -1.26 -4.43 116.55 119.52 1mfn n ASP 93 Ca -0.18 -0.07 -0.42 0.00 0.71 0.00 0.00 54.79 54.83 1mfn n ASP 93 Cb 0.53 -0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.41 1mfn n ASP 93 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1mfn n ILE 94 N -1.23 2.25 -0.34 0.53 5.41 -1.26 -4.71 119.36 120.01 1mfn n ILE 94 Ca 0.09 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.34 1mfn n ILE 94 Cb 0.12 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 1mfn n ILE 94 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1mfn n PRO 95 N 0.30 0.52 -3.57 0.38 -0.04 -1.26 -4.32 135.00 127.00 1mfn n PRO 95 Ca 0.10 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 1mfn n PRO 95 Cb 0.39 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.78 1mfn n PRO 95 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1mfn s ARG 96 N -1.15 0.96 -0.44 0.54 1.70 -1.14 -4.89 118.95 114.53 1mfn s ARG 96 Ca 0.00 0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.64 1mfn s ARG 96 Cb 0.00 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 1mfn s ARG 96 CO 0.00 -0.26 0.00 -3.47 -1.08 0.00 0.00 175.30 170.49 1mfn n ASP 97 N 1.37 -2.91 -4.54 -2.89 -0.08 -1.26 -0.17 116.55 106.07 1mfn n ASP 97 Ca -0.18 0.06 -0.37 0.00 -1.51 0.00 0.00 54.79 52.79 1mfn n ASP 97 Cb 0.57 -1.45 -0.06 0.00 2.34 0.00 0.00 41.12 42.52 1mfn n ASP 97 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1mfn n LEU 98 N -0.57 1.79 -4.02 -2.67 7.94 -1.25 -4.44 117.00 113.78 1mfn n LEU 98 Ca -0.05 -0.36 -0.08 0.00 -1.11 0.00 0.00 56.01 54.41 1mfn n LEU 98 Cb 0.32 -1.42 -0.09 0.00 0.53 0.00 0.00 43.42 42.76 1mfn n LEU 98 CO 0.07 -1.39 -0.23 -1.61 -1.11 0.00 0.00 177.39 173.11 1mfn s GLU 99 N 8.48 0.81 0.08 1.96 2.02 -1.04 -4.92 118.70 126.09 1mfn s GLU 99 Ca 1.07 -1.19 0.02 0.00 0.02 0.00 0.00 54.97 54.90 1mfn s GLU 99 Cb -0.44 0.27 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 1mfn s GLU 99 CO 0.32 -0.22 0.13 0.08 0.02 0.00 0.00 175.26 175.58 1mfn s VAL 100 N -3.94 4.81 0.00 2.63 1.01 -1.26 -0.72 120.40 122.93 1mfn s VAL 100 Ca 0.11 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1mfn s VAL 100 Cb 0.06 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1mfn s VAL 100 CO -0.07 0.11 0.00 2.30 0.00 0.00 0.00 175.10 177.44 1mfn n ILE 101 N 0.32 0.00 -4.13 2.22 -5.35 -0.98 -4.98 119.36 106.46 1mfn n ILE 101 Ca -0.07 -0.20 -0.15 0.00 -0.27 0.00 0.00 62.75 62.06 1mfn n ILE 101 Cb 0.52 0.70 -0.13 0.00 -1.74 0.00 0.00 39.64 38.98 1mfn n ILE 101 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mfn s ALA 102 N -1.61 0.48 -0.36 -1.28 0.00 -1.26 -5.02 121.76 112.71 1mfn s ALA 102 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1mfn s ALA 102 Cb 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.18 1mfn s ALA 102 CO 0.00 0.07 0.19 -1.54 0.00 0.00 0.00 175.76 174.47 1mfn s SER 103 N -0.57 3.45 0.81 0.00 1.04 -1.26 -2.37 113.70 114.80 1mfn s SER 103 Ca -0.02 -2.09 -0.12 0.00 0.48 0.00 0.00 55.95 54.20 1mfn s SER 103 Cb -0.04 -0.67 0.08 0.00 0.10 0.00 0.00 66.02 65.48 1mfn s SER 103 CO -0.00 -0.33 1.11 0.42 0.98 0.00 0.00 173.24 175.41 1mfn s THR 104 N 1.10 2.87 -1.81 2.02 -4.23 0.42 -4.89 115.64 111.11 1mfn s THR 104 Ca 0.15 0.28 0.15 0.00 -1.18 0.00 0.00 61.69 61.09 1mfn s THR 104 Cb -0.21 -3.07 0.37 0.00 1.34 0.00 0.00 72.50 70.92 1mfn s THR 104 CO -0.09 -0.37 1.33 -0.81 -0.54 0.00 0.00 174.62 174.14 1mfn n PRO 105 N -3.44 0.38 -0.36 3.99 -0.04 -1.26 -2.75 135.00 131.51 1mfn n PRO 105 Ca 0.07 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1mfn n PRO 105 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1mfn n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1mfn n THR 106 N -1.09 0.00 -3.56 0.52 -2.24 -1.26 -4.60 114.28 102.04 1mfn n THR 106 Ca 0.10 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.82 1mfn n THR 106 Cb 0.07 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 1mfn n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1mfn s SER 107 N -0.31 -0.26 -0.03 3.42 1.04 -1.11 -2.91 113.70 113.53 1mfn s SER 107 Ca 0.00 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.26 1mfn s SER 107 Cb 0.00 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.45 1mfn s SER 107 CO 0.00 -0.52 0.26 -0.76 0.98 0.00 0.00 173.24 173.21 1mfn s LEU 108 N -2.47 1.03 -0.12 2.42 1.43 -0.05 0.16 118.68 121.08 1mfn s LEU 108 Ca 0.07 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1mfn s LEU 108 Cb -0.01 1.06 -0.03 0.00 0.03 0.00 0.00 46.19 47.24 1mfn s LEU 108 CO -0.06 -0.35 0.00 -1.48 0.23 0.00 0.00 176.35 174.68 1mfn s LEU 109 N -1.01 3.53 0.37 1.79 0.05 -1.00 -0.62 118.68 121.79 1mfn s LEU 109 Ca -0.11 0.07 0.08 0.00 0.05 0.00 0.00 54.13 54.22 1mfn s LEU 109 Cb -0.05 -1.83 -0.05 0.00 -2.05 0.00 0.00 46.19 42.21 1mfn s LEU 109 CO 0.03 0.29 0.16 0.27 -0.55 0.00 0.00 176.35 176.55 1mfn s ILE 110 N -0.38 2.72 -0.17 1.48 -0.00 0.16 -2.31 121.20 122.70 1mfn s ILE 110 Ca 0.07 -1.70 -0.13 0.00 -0.00 0.00 0.00 60.65 58.89 1mfn s ILE 110 Cb -0.12 -2.97 0.05 0.00 -0.00 0.00 0.00 42.46 39.42 1mfn s ILE 110 CO 0.02 -0.11 0.43 -0.55 -0.00 0.00 0.00 174.94 174.73 1mfn s SER 111 N -3.87 -0.49 0.23 4.36 0.15 0.10 -1.05 113.70 113.14 1mfn s SER 111 Ca 0.39 0.89 -0.00 0.00 0.70 0.00 0.00 55.95 57.93 1mfn s SER 111 Cb -0.00 0.86 -0.03 0.00 -1.71 0.00 0.00 66.02 65.13 1mfn s SER 111 CO 0.23 -0.17 0.20 -1.66 1.20 0.00 0.00 173.24 173.04 1mfn s TRP 112 N 0.67 1.23 0.32 3.44 -2.14 0.66 -2.49 118.94 120.62 1mfn s TRP 112 Ca -0.04 -1.39 0.08 0.00 2.66 0.00 0.00 56.10 57.41 1mfn s TRP 112 Cb -0.05 -0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 29.76 1mfn s TRP 112 CO -0.05 -0.73 0.22 -1.21 -2.66 0.00 0.00 176.95 172.53 1mfn s GLU 113 N -3.97 2.63 0.08 3.25 2.02 0.76 -4.74 118.70 118.73 1mfn s GLU 113 Ca 0.38 -1.34 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 1mfn s GLU 113 Cb 0.05 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.84 1mfn s GLU 113 CO 0.15 0.15 1.03 -1.25 0.02 0.00 0.00 175.26 175.37 1mfn s PRO 114 N -3.92 4.59 0.00 0.39 0.04 -1.26 -2.90 135.00 131.94 1mfn s PRO 114 Ca 0.38 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1mfn s PRO 114 Cb -0.05 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1mfn s PRO 114 CO 0.25 0.02 0.00 -0.35 0.04 0.00 0.00 177.00 176.96 1mfn n PRO 115 N 3.27 1.53 0.00 0.56 -0.04 -1.26 -4.86 135.00 134.20 1mfn n PRO 115 Ca 0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 1mfn n PRO 115 Cb 0.49 0.00 0.38 0.00 -0.04 0.00 0.00 33.50 34.32 1mfn n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mfn n ALA 116 N -3.00 1.87 -2.28 0.55 0.00 -1.26 -4.71 120.51 111.68 1mfn n ALA 116 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1mfn n ALA 116 Cb 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 19.45 18.12 1mfn n ALA 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1mfn s VAL 117 N -2.43 0.81 0.00 0.00 -7.23 -1.26 -4.81 120.40 105.48 1mfn s VAL 117 Ca 0.16 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1mfn s VAL 117 Cb 0.10 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.44 1mfn s VAL 117 CO 0.20 -0.77 0.00 -1.54 -0.31 0.00 0.00 175.10 172.68 1mfn n SER 118 N 0.11 -0.17 -3.71 4.85 3.41 -1.26 -4.94 113.62 111.90 1mfn n SER 118 Ca -0.13 -0.08 -0.13 0.00 -0.26 0.00 0.00 58.87 58.26 1mfn n SER 118 Cb 0.60 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.45 1mfn n SER 118 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mfn s VAL 119 N -0.17 -0.00 -0.25 -3.33 1.01 -1.26 -4.87 120.40 111.53 1mfn s VAL 119 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 1mfn s VAL 119 Cb 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 36.38 35.56 1mfn s VAL 119 CO 0.00 0.00 -0.21 -2.11 0.00 0.00 0.00 175.10 172.78 1mfn n ARG 120 N 2.86 0.64 -3.52 2.72 1.85 -1.00 -4.85 116.66 115.36 1mfn n ARG 120 Ca -0.14 0.21 -0.09 0.00 -1.00 0.00 0.00 57.85 56.83 1mfn n ARG 120 Cb 0.57 -1.53 -0.02 0.00 -1.05 0.00 0.00 32.46 30.43 1mfn n ARG 120 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 1mfn s TYR 121 N -2.51 -0.37 0.37 2.89 -0.85 -1.09 -2.59 117.35 113.20 1mfn s TYR 121 Ca -0.35 0.19 0.04 0.00 -0.52 0.00 0.00 57.07 56.43 1mfn s TYR 121 Cb 0.11 0.56 -0.06 0.00 0.38 0.00 0.00 41.96 42.95 1mfn s TYR 121 CO 0.58 -0.65 0.05 0.71 -1.52 0.00 0.00 175.55 174.72 1mfn s TYR 122 N -3.29 2.06 -0.42 -3.49 1.51 -0.95 0.20 117.35 112.96 1mfn s TYR 122 Ca 0.05 -0.94 0.02 0.00 -1.01 0.00 0.00 57.07 55.18 1mfn s TYR 122 Cb -0.01 -1.41 0.13 0.00 -0.11 0.00 0.00 41.96 40.56 1mfn s TYR 122 CO -0.09 0.09 0.23 1.03 -1.11 0.00 0.00 175.55 175.70 1mfn s ARG 123 N -3.82 1.12 0.64 -0.62 0.52 -0.45 0.19 118.95 116.52 1mfn s ARG 123 Ca 0.31 -1.83 -0.08 0.00 -0.52 0.00 0.00 55.73 53.61 1mfn s ARG 123 Cb 0.07 -2.12 0.01 0.00 0.52 0.00 0.00 34.95 33.43 1mfn s ARG 123 CO 0.15 -1.16 0.98 0.42 0.02 0.00 0.00 175.30 175.71 1mfn s ILE 124 N 0.55 3.65 0.02 1.52 1.01 0.12 0.11 121.20 128.19 1mfn s ILE 124 Ca 0.17 0.24 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 1mfn s ILE 124 Cb -0.24 -3.49 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 1mfn s ILE 124 CO -0.00 -0.57 0.01 0.42 0.00 0.00 0.00 174.94 174.80 1mfn s THR 125 N -3.14 0.12 0.14 2.92 -4.23 0.57 0.25 115.64 112.27 1mfn s THR 125 Ca 0.55 -0.98 -0.21 0.00 -1.18 0.00 0.00 61.69 59.88 1mfn s THR 125 Cb -0.11 -0.47 -0.07 0.00 1.34 0.00 0.00 72.50 73.19 1mfn s THR 125 CO 0.48 -0.54 0.66 -0.31 -0.54 0.00 0.00 174.62 174.38 1mfn s TYR 126 N -1.79 3.78 -0.35 3.99 1.51 -0.72 -2.48 117.35 121.28 1mfn s TYR 126 Ca -0.13 1.38 -0.10 0.00 -1.01 0.00 0.00 57.07 57.22 1mfn s TYR 126 Cb -0.07 -2.59 0.02 0.00 -0.11 0.00 0.00 41.96 39.21 1mfn s TYR 126 CO -0.02 0.49 0.17 0.20 -1.11 0.00 0.00 175.55 175.29 1mfn s GLY 127 N -1.32 1.90 -0.02 0.71 0.00 0.64 -2.58 107.32 106.65 1mfn s GLY 127 Ca 0.35 -1.64 -0.00 0.00 0.00 0.00 0.00 44.72 43.43 1mfn s GLY 127 CO 0.22 0.79 0.05 -0.54 0.00 0.00 0.00 173.10 173.62 1mfn s GLU 128 N 1.54 2.99 0.93 2.90 2.02 -1.26 0.11 118.70 127.93 1mfn s GLU 128 Ca 0.02 -0.49 -0.12 0.00 0.02 0.00 0.00 54.97 54.40 1mfn s GLU 128 Cb -0.19 -2.81 0.09 0.00 0.10 0.00 0.00 34.13 31.32 1mfn s GLU 128 CO 0.06 0.66 0.78 0.25 0.02 0.00 0.00 175.26 177.02 1mfn n THR 129 N 1.44 0.13 -3.54 3.63 -2.24 -1.01 -3.43 114.28 109.25 1mfn n THR 129 Ca -0.15 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.29 1mfn n THR 129 Cb 0.53 -0.82 0.05 0.00 -2.10 0.00 0.00 70.33 67.99 1mfn n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 130 N 0.90 -0.88 0.29 3.38 0.00 -1.26 -4.86 105.19 102.76 1mfn n GLY 130 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1mfn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mfn n GLY 131 N -1.50 -1.35 3.63 -0.02 0.00 -1.22 -5.02 105.19 99.70 1mfn n GLY 131 Ca -0.14 0.38 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1mfn n GLY 131 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mfn n ASN 132 N -1.22 -5.52 0.00 1.61 3.02 -1.26 -4.39 115.26 107.51 1mfn n ASN 132 Ca 0.00 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 1mfn n ASN 132 Cb 0.00 -4.86 0.00 0.00 -0.61 0.00 0.00 39.78 34.31 1mfn n ASN 132 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1mfn n SER 133 N -3.01 0.00 -4.43 6.41 2.88 -1.26 -5.04 113.62 109.17 1mfn n SER 133 Ca -0.03 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.11 1mfn n SER 133 Cb 0.57 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 1mfn n SER 133 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1mfn n PRO 134 N 0.00 2.83 -3.78 -1.46 -0.04 -1.26 -4.94 135.00 126.35 1mfn n PRO 134 Ca 0.00 -3.01 -0.22 0.00 -0.04 0.00 0.00 63.50 60.23 1mfn n PRO 134 Cb 0.00 -3.49 -0.05 0.00 -0.04 0.00 0.00 33.50 29.92 1mfn n PRO 134 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1mfn s VAL 135 N 5.26 2.49 -1.07 0.52 -7.23 -1.26 -4.72 120.40 114.39 1mfn s VAL 135 Ca 0.56 -1.47 -0.13 0.00 -1.81 0.00 0.00 61.98 59.12 1mfn s VAL 135 Cb 0.05 -2.96 0.21 0.00 0.56 0.00 0.00 36.38 34.23 1mfn s VAL 135 CO 0.07 0.00 1.17 -1.10 -0.31 0.00 0.00 175.10 174.92 1mfn s GLN 136 N -4.06 3.97 -0.28 4.82 1.11 -1.06 -4.75 119.66 119.42 1mfn s GLN 136 Ca 0.45 -2.65 -0.29 0.00 0.01 0.00 0.00 55.36 52.88 1mfn s GLN 136 Cb -0.01 -4.76 -0.01 0.00 -1.01 0.00 0.00 33.01 27.22 1mfn s GLN 136 CO 0.26 -1.51 1.39 -2.00 0.01 0.00 0.00 175.29 173.44 1mfn s GLU 137 N 0.56 3.88 0.22 2.91 2.12 -1.26 -1.76 118.70 125.37 1mfn s GLU 137 Ca 0.33 1.37 0.11 0.00 0.36 0.00 0.00 54.97 57.13 1mfn s GLU 137 Cb -0.07 -3.93 -0.05 0.00 0.26 0.00 0.00 34.13 30.35 1mfn s GLU 137 CO -0.06 -1.17 -0.16 -0.59 -0.54 0.00 0.00 175.26 172.74 1mfn s PHE 138 N 4.62 2.44 0.20 5.30 -0.71 0.69 -4.91 117.98 125.62 1mfn s PHE 138 Ca 0.61 -0.29 -0.03 0.00 -1.04 0.00 0.00 56.93 56.17 1mfn s PHE 138 Cb -0.19 -1.15 0.05 0.00 -1.21 0.00 0.00 43.02 40.52 1mfn s PHE 138 CO 0.25 0.58 0.21 0.25 -1.34 0.00 0.00 175.22 175.18 1mfn n THR 139 N -0.21 0.00 -3.68 -4.49 -2.24 -1.26 0.16 114.28 102.55 1mfn n THR 139 Ca -0.09 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 1mfn n THR 139 Cb 0.57 -1.41 -0.08 0.00 -2.10 0.00 0.00 70.33 67.31 1mfn n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1mfn s VAL 140 N -1.43 0.01 0.26 2.28 1.01 0.51 -4.33 120.40 118.71 1mfn s VAL 140 Ca 0.13 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1mfn s VAL 140 Cb -0.01 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.53 1mfn s VAL 140 CO 0.10 -0.04 0.98 -2.16 0.00 0.00 0.00 175.10 173.98 1mfn s PRO 141 N -0.20 4.76 -0.41 2.72 0.04 -1.26 -2.25 135.00 138.40 1mfn s PRO 141 Ca -0.04 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 1mfn s PRO 141 Cb -0.03 -3.20 0.32 0.00 0.04 0.00 0.00 34.50 31.63 1mfn s PRO 141 CO 0.03 0.41 1.95 0.41 0.04 0.00 0.00 177.00 179.83 1mfn n GLY 142 N 1.30 4.50 0.66 0.56 0.00 -1.07 -4.13 105.19 107.02 1mfn n GLY 142 Ca -0.01 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 44.74 1mfn n GLY 142 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mfn n SER 143 N -0.15 2.36 -3.54 1.61 2.88 -1.26 -4.92 113.62 110.59 1mfn n SER 143 Ca 0.40 -1.68 -0.10 0.00 -1.33 0.00 0.00 58.87 56.16 1mfn n SER 143 Cb 0.72 0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 64.23 1mfn n SER 143 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1mfn s LYS 144 N -1.56 1.37 0.00 -1.46 -0.14 -1.26 -5.02 119.74 111.68 1mfn s LYS 144 Ca 0.20 -0.59 0.14 0.00 -1.36 0.00 0.00 55.97 54.35 1mfn s LYS 144 Cb 0.15 0.58 0.41 0.00 -1.68 0.00 0.00 37.83 37.29 1mfn s LYS 144 CO 0.25 -0.61 1.33 -1.13 -0.76 0.00 0.00 175.35 174.44 1mfn n SER 145 N -0.39 2.13 -4.47 2.83 3.41 -1.26 -4.87 113.62 111.00 1mfn n SER 145 Ca -0.13 -1.96 -0.25 0.00 -0.26 0.00 0.00 58.87 56.27 1mfn n SER 145 Cb 0.63 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 1mfn n SER 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1mfn s THR 146 N -1.50 2.49 0.06 6.66 -4.23 -1.26 -0.25 115.64 117.62 1mfn s THR 146 Ca 0.28 -2.31 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1mfn s THR 146 Cb 0.15 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1mfn s THR 146 CO 0.20 -0.34 -0.08 0.00 -0.54 0.00 0.00 174.62 173.86 1mfn s ALA 147 N -2.33 0.76 0.10 3.99 0.00 -0.22 -4.93 121.76 119.13 1mfn s ALA 147 Ca 0.28 -0.98 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1mfn s ALA 147 Cb -0.06 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1mfn s ALA 147 CO 0.14 -0.08 0.27 -0.08 0.00 0.00 0.00 175.76 176.01 1mfn s THR 148 N -2.11 5.32 -0.19 0.00 -1.32 -1.26 -0.67 115.64 115.42 1mfn s THR 148 Ca -0.02 -0.37 -0.02 0.00 -1.21 0.00 0.00 61.69 60.07 1mfn s THR 148 Cb -0.05 -3.66 0.06 0.00 -1.51 0.00 0.00 72.50 67.34 1mfn s THR 148 CO -0.01 0.05 0.01 -0.63 -2.21 0.00 0.00 174.62 171.84 1mfn s ILE 149 N -1.61 0.69 0.37 5.08 -1.09 0.21 -4.94 121.20 119.92 1mfn s ILE 149 Ca 0.36 -0.59 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 1mfn s ILE 149 Cb -0.12 -1.11 -0.07 0.00 -1.58 0.00 0.00 42.46 39.58 1mfn s ILE 149 CO 0.28 -0.13 0.01 0.20 -1.23 0.00 0.00 174.94 174.07 1mfn s ASN 150 N 1.79 3.43 -0.43 3.58 -0.87 -1.26 -0.88 114.94 120.30 1mfn s ASN 150 Ca -0.01 -1.34 0.00 0.00 -1.57 0.00 0.00 52.86 49.94 1mfn s ASN 150 Cb -0.17 -0.30 0.00 0.00 -0.02 0.00 0.00 41.25 40.76 1mfn s ASN 150 CO -0.07 -0.46 0.00 0.59 -2.57 0.00 0.00 177.10 174.59 1mfn n ASN 151 N -0.86 -3.45 -4.80 -1.22 4.13 -1.15 -4.97 115.26 102.94 1mfn n ASN 151 Ca -0.04 0.10 -0.34 0.00 1.68 0.00 0.00 54.58 55.97 1mfn n ASN 151 Cb 0.66 -1.35 -0.05 0.00 -1.54 0.00 0.00 39.78 37.51 1mfn n ASN 151 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1mfn s ILE 152 N -2.15 3.98 -0.29 2.41 2.07 -1.15 -5.02 121.20 121.04 1mfn s ILE 152 Ca 0.00 1.27 -0.10 0.00 -1.41 0.00 0.00 60.65 60.42 1mfn s ILE 152 Cb 0.00 -3.53 -0.02 0.00 0.13 0.00 0.00 42.46 39.04 1mfn s ILE 152 CO 0.00 -0.23 0.15 -0.54 -1.91 0.00 0.00 174.94 172.41 1mfn s LYS 153 N -3.11 3.53 0.79 3.50 1.02 -1.26 -4.77 119.74 119.44 1mfn s LYS 153 Ca 0.64 -0.58 -0.12 0.00 0.02 0.00 0.00 55.97 55.93 1mfn s LYS 153 Cb -0.15 -3.54 0.06 0.00 -0.52 0.00 0.00 37.83 33.69 1mfn s LYS 153 CO 0.19 -0.32 1.12 -1.25 -0.92 0.00 0.00 175.35 174.17 1mfn s PRO 154 N 1.65 2.18 -0.31 -1.68 0.04 -1.26 -4.54 135.00 131.07 1mfn s PRO 154 Ca 0.06 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.48 1mfn s PRO 154 Cb -0.16 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 1mfn s PRO 154 CO 0.07 -1.50 0.27 0.41 0.04 0.00 0.00 177.00 176.29 1mfn n GLY 155 N -2.70 0.30 0.00 0.56 0.00 -1.18 -4.99 105.19 97.17 1mfn n GLY 155 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1mfn n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mfn n ALA 156 N -2.01 0.00 -0.87 4.61 0.00 -1.16 -5.02 120.51 116.07 1mfn n ALA 156 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 1mfn n ALA 156 Cb 0.54 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.08 1mfn n ALA 156 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1mfn n ASP 157 N 0.00 -3.56 -3.56 0.00 2.03 -1.26 -2.28 116.55 107.92 1mfn n ASP 157 Ca 0.00 0.21 -0.16 0.00 0.52 0.00 0.00 54.79 55.35 1mfn n ASP 157 Cb 0.00 -0.98 -0.08 0.00 -0.72 0.00 0.00 41.12 39.35 1mfn n ASP 157 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1mfn s TYR 158 N -2.21 1.45 0.21 -0.67 1.51 0.52 -2.40 117.35 115.75 1mfn s TYR 158 Ca 0.49 -1.50 -0.08 0.00 -1.01 0.00 0.00 57.07 54.97 1mfn s TYR 158 Cb -0.17 -0.54 -0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1mfn s TYR 158 CO 0.73 -0.87 0.31 0.99 -1.11 0.00 0.00 175.55 175.61 1mfn s THR 159 N -3.57 0.02 -0.14 -0.71 2.01 0.30 0.13 115.64 113.69 1mfn s THR 159 Ca 0.38 -1.60 -0.05 0.00 0.31 0.00 0.00 61.69 60.73 1mfn s THR 159 Cb 0.03 -2.20 0.07 0.00 0.01 0.00 0.00 72.50 70.40 1mfn s THR 159 CO 0.22 -0.08 0.28 -0.63 -0.69 0.00 0.00 174.62 173.72 1mfn s ILE 160 N -4.05 -0.42 0.25 1.82 -1.09 -1.03 0.24 121.20 116.92 1mfn s ILE 160 Ca 0.26 0.26 0.06 0.00 -2.23 0.00 0.00 60.65 59.01 1mfn s ILE 160 Cb 0.03 -0.47 -0.05 0.00 -1.58 0.00 0.00 42.46 40.39 1mfn s ILE 160 CO 0.08 0.11 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.94 1mfn s THR 161 N 2.39 1.56 -0.14 2.92 2.01 -1.03 0.71 115.64 124.05 1mfn s THR 161 Ca 0.00 -2.13 -0.29 0.00 0.31 0.00 0.00 61.69 59.59 1mfn s THR 161 Cb -0.12 -2.33 0.08 0.00 0.01 0.00 0.00 72.50 70.14 1mfn s THR 161 CO -0.09 -0.38 0.73 -1.48 -0.69 0.00 0.00 174.62 172.70 1mfn s LEU 162 N -3.39 -0.66 -0.57 4.42 0.05 -0.57 0.21 118.68 118.17 1mfn s LEU 162 Ca 0.27 0.95 0.00 0.00 0.05 0.00 0.00 54.13 55.40 1mfn s LEU 162 Cb 0.03 2.45 0.15 0.00 -2.05 0.00 0.00 46.19 46.77 1mfn s LEU 162 CO 0.10 -0.46 0.35 -0.31 -0.55 0.00 0.00 176.35 175.49 1mfn s TYR 163 N -0.61 3.33 0.27 3.48 1.51 0.30 -1.92 117.35 123.72 1mfn s TYR 163 Ca -0.06 -2.91 -0.30 0.00 -1.01 0.00 0.00 57.07 52.79 1mfn s TYR 163 Cb -0.02 -3.04 -0.12 0.00 -0.11 0.00 0.00 41.96 38.67 1mfn s TYR 163 CO 0.06 -0.81 1.49 0.00 -1.11 0.00 0.00 175.55 175.18 1mfn n ALA 164 N 3.37 1.82 -3.05 3.71 0.00 -1.26 -1.34 120.51 123.75 1mfn n ALA 164 Ca 0.06 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.54 1mfn n ALA 164 Cb 0.36 -2.36 -0.12 0.00 0.00 0.00 0.00 19.45 17.32 1mfn n ALA 164 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mfn s VAL 165 N -0.12 4.11 0.00 0.00 1.01 0.52 -3.05 120.40 122.87 1mfn s VAL 165 Ca 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1mfn s VAL 165 Cb -0.57 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1mfn s VAL 165 CO 0.50 0.42 0.00 0.35 0.00 0.00 0.00 175.10 176.37 1mfn n THR 166 N 4.26 0.00 -1.26 3.92 -2.24 -1.24 -2.36 114.28 115.35 1mfn n THR 166 Ca -0.17 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.17 1mfn n THR 166 Cb 0.52 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1mfn n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mfn n GLY 167 N 1.83 -1.45 0.32 3.38 0.00 -1.25 -4.81 105.19 103.21 1mfn n GLY 167 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1mfn n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mfn n ARG 168 N 0.93 0.00 0.00 1.61 1.74 -1.26 -4.12 116.66 115.57 1mfn n ARG 168 Ca 0.16 -0.40 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1mfn n ARG 168 Cb 0.21 -0.25 0.00 0.00 -1.02 0.00 0.00 32.46 31.40 1mfn n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1mfn n GLY 169 N 0.00 1.69 1.20 -0.13 0.00 -1.26 -4.69 105.19 102.01 1mfn n GLY 169 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1mfn n GLY 169 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mfn n ASP 170 N 0.00 3.25 0.00 1.61 5.75 -1.26 -4.85 116.55 121.05 1mfn n ASP 170 Ca 0.00 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 1mfn n ASP 170 Cb 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.49 1mfn n ASP 170 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1mfn n SER 171 N 0.23 0.00 -4.55 -1.12 7.64 -1.26 -5.08 113.62 109.48 1mfn n SER 171 Ca 0.15 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.63 1mfn n SER 171 Cb 0.74 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.90 1mfn n SER 171 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1mfn s PRO 172 N -0.91 3.16 0.00 1.43 0.04 -1.26 -3.98 135.00 133.48 1mfn s PRO 172 Ca 0.00 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1mfn s PRO 172 Cb 0.00 -4.59 0.00 0.00 0.04 0.00 0.00 34.50 29.95 1mfn s PRO 172 CO 0.00 -2.35 0.00 0.00 0.04 0.00 0.00 177.00 174.69 1mfn n ALA 173 N 10.12 0.00 -3.67 8.56 0.00 -1.26 -4.85 120.51 129.42 1mfn n ALA 173 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1mfn n ALA 173 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.86 1mfn n ALA 173 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mfn s SER 174 N -1.00 -0.67 0.62 0.00 1.04 -1.26 -3.67 113.70 108.76 1mfn s SER 174 Ca 0.00 1.18 0.00 0.00 0.48 0.00 0.00 55.95 57.61 1mfn s SER 174 Cb 0.00 1.24 0.00 0.00 0.10 0.00 0.00 66.02 67.36 1mfn s SER 174 CO 0.00 -0.22 0.00 -1.54 0.98 0.00 0.00 173.24 172.46 1mfn n SER 175 N 4.63 -1.25 -4.79 7.02 3.41 -1.17 -4.89 113.62 116.58 1mfn n SER 175 Ca -0.18 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.09 1mfn n SER 175 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1mfn n SER 175 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1mfn s LYS 176 N -1.87 3.50 -0.25 4.33 1.02 -1.26 -4.74 119.74 120.46 1mfn s LYS 176 Ca 0.00 1.35 -0.29 0.00 0.02 0.00 0.00 55.97 57.05 1mfn s LYS 176 Cb 0.00 -2.05 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1mfn s LYS 176 CO 0.00 -0.68 1.09 -1.25 -0.92 0.00 0.00 175.35 173.58 1mfn s PRO 177 N -3.58 4.20 -0.09 -1.68 0.04 -1.26 -4.66 135.00 127.96 1mfn s PRO 177 Ca 0.67 1.32 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 1mfn s PRO 177 Cb -0.18 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.65 1mfn s PRO 177 CO 0.28 -0.73 0.79 0.08 0.04 0.00 0.00 177.00 177.47 1mfn s VAL 178 N 3.40 4.96 -0.09 -0.36 1.01 -0.81 -4.76 120.40 123.76 1mfn s VAL 178 Ca 0.46 1.61 0.03 0.00 0.00 0.00 0.00 61.98 64.08 1mfn s VAL 178 Cb -0.15 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1mfn s VAL 178 CO 0.10 0.16 -0.18 -0.94 0.00 0.00 0.00 175.10 174.24 1mfn s SER 179 N 0.96 2.43 0.00 3.32 1.04 -1.26 -1.51 113.70 118.68 1mfn s SER 179 Ca 0.40 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1mfn s SER 179 Cb -0.18 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1mfn s SER 179 CO 0.18 0.08 0.00 2.30 0.98 0.00 0.00 173.24 176.78 1mfn n ILE 180 N 3.75 0.00 -4.36 -1.02 -5.35 0.22 -4.92 119.36 107.68 1mfn n ILE 180 Ca -0.21 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.06 1mfn n ILE 180 Cb 0.52 -0.26 -0.11 0.00 -1.74 0.00 0.00 39.64 38.05 1mfn n ILE 180 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1mfn s ASN 181 N 0.07 2.81 0.26 7.28 -0.87 -1.26 -2.46 114.94 120.76 1mfn s ASN 181 Ca 0.00 -0.92 -0.14 0.00 -1.57 0.00 0.00 52.86 50.23 1mfn s ASN 181 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.06 1mfn s ASN 181 CO 0.00 -0.05 0.52 -0.47 -2.57 0.00 0.00 177.10 174.54 1mfn s TYR 182 N -2.29 0.29 -0.01 2.20 5.04 0.12 -4.74 117.35 117.96 1mfn s TYR 182 Ca 0.19 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 1mfn s TYR 182 Cb -0.05 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.56 1mfn s TYR 182 CO 0.08 -1.05 0.01 0.15 -1.34 0.00 0.00 175.55 173.39 1mfn s LYS 183 N -3.92 0.09 0.00 4.97 1.02 -1.26 0.19 119.74 120.83 1mfn s LYS 183 Ca 0.21 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.27 1mfn s LYS 183 Cb -0.02 -0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.07 1mfn s LYS 183 CO 0.09 -0.08 0.49 0.25 -0.92 0.00 0.00 175.35 175.18